{"database":"biostudies-other","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["180"],"submitter":["Zainab Ashimiyu-Abdusalam"],"journal":["Cell"],"pagination":["688-702.e13"],"species":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/MODEL2405080006"],"repository":["biostudies-other"],"additional_accession":["32084340"],"pubmed_authors":["Zainab Ashimiyu-Abdusalam","Miquel Duran-Frigola"]},"is_claimable":false,"name":"Stokes2020 - Antibiotics discovery using deep learning approach (Antiviral implementation)","description":"<p>This model was developed to support the early efforts in the identification of novel drugs against SARS-CoV2. It predicts the probability that a small molecule inhibits SARS-3CLpro-mediated peptide cleavage. It was developed using a high-throughput screening against the 3CL protease of SARS-CoV1, as no data was yet available for the new virus (SARS-CoV2) causing the COVID-19 pandemic. It uses the ChemProp model.</p><p><normal>Model Type:</normal> Predictive machine learning model.<br><normal>Model Relevance:</normal> Probability of 3CL protease inhibition.<br><normal>Model Encoded by:</normal> Miquel Duran-frigola (Ersilia)<br><normal>Metadata Submitted in BioModels by:</normal> Zainab Ashimiyu-Abdusalam</p><p>Implementation of this model code by <a href=\"https://ersilia.io/\">Ersilia</a> is available here: <br><a href=\"https://github.com/ersilia-os/eos9f6t\">https://github.com/ersilia-os/eos9f6t</a></p><img src=\"https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png\" alt=\"Ersilia Logo\" width=\"150\">","dates":{"release":"2024-05-08T00:00:00Z","modification":"2025-07-14T17:02:29.521Z","creation":"2025-03-31T13:25:51.725Z"},"accession":"MODEL2405080006","cross_references":{"stato":["STATO:0000274","STATO:0000031"],"bao":["0002305","0000348","0700004"],"pubmed":["32084340"],"ncit":["NCIT:C1907","C171133","C281","NCIT:C16309","NCIT:C190795","NCIT:C176258","NCIT:C17429","C154407","C45329","NCIT:C184960"],"edam":["topic_3336","topic_0154","topic_3474"],"cheminf":["CHEMINF:000018"],"taxonomy":["694009","9606"],"unknown":["chemprop","eos9f6t"],"efo":["0005741"]}}